2-(2-methylpropylsulfanyl)ethylcyclopropane

C9H18S — CID 130718776

IUPAC2-(2-methylpropylsulfanyl)ethylcyclopropane
SMILESCC(C)CSCCC1CC1
InChIInChI=1S/C9H18S/c1-8(2)7-10-6-5-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyKNKCBLQSXMGIFQ-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-methylpropylsulfanyl)ethylcyclopropane

2-(2-methylpropylsulfanyl)ethylcyclopropane (PubChem CID 130718776) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)ethylcyclopropane.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)ethylcyclopropane
PubChem CID130718776
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name2-(2-methylpropylsulfanyl)ethylcyclopropane
SMILESCC(C)CSCCC1CC1
InChIInChI=1S/C9H18S/c1-8(2)7-10-6-5-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyKNKCBLQSXMGIFQ-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclopropylethylsulfanyl)butan-2-amine
CID 66234186
N-[2-(2-methylpropylsulfanyl)ethyl]cyclopropanamine
CID 61385742
2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
CID 90476031
2-methylsulfanylethylcyclopropane
CID 23403340
1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane
CID 146200730
1-(2-chloroethylsulfanyl)-2-methylpropane
CID 19883756
2-ethylsulfanylethylcyclohexane
CID 89032228
1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol
CID 65135104
2-but-3-ynylsulfanylethylcyclopropane
CID 130978017
5,5-dimethyl-1-(2-methylpropylsulfanyl)hexane
CID 138647209
1-(methylamino)-2-[2-(2-methylpropylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79588230
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)ethylcyclopropane?
The IUPAC name of 2-(2-methylpropylsulfanyl)ethylcyclopropane (CID 130718776) is 2-(2-methylpropylsulfanyl)ethylcyclopropane.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)ethylcyclopropane?
The canonical SMILES for 2-(2-methylpropylsulfanyl)ethylcyclopropane is CC(C)CSCCC1CC1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)ethylcyclopropane?
The InChIKey is KNKCBLQSXMGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-8(2)7-10-6-5-9-3-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)ethylcyclopropane?
2-(2-methylpropylsulfanyl)ethylcyclopropane has a molecular weight of 158.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)ethylcyclopropane is sourced from PubChem (CID 130718776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).